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Documentation2-propylpropanedial
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM01921 |
| SMILES |
CCCC(C=O)C=O
|
| InChIKey |
NNPVPFUZVSWMHT-UHFFFAOYSA-N
|
| MW [Da] |
114.14
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
18381089
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199250
Similarity: 0.8636
Similarity to MM199250
| Tanimoto metric | 0.8636 |
|---|---|
| Cosine metric | 0.9293 |
| Dice metric | 0.9268 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM327942
Similarity: 0.7917
Similarity to MM327942
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8898 |
| Dice metric | 0.8837 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26215
Similarity: 0.7895
Similarity to MM26215
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 100.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+252 more
